AC1L9D8Y structure

AC1L9D8Y

4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline

Also Known As: 4,4'-[(2-Phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)]bis[N,N-bis(2-chloroethyl)-3-methylaniline]|4,4'-[(2-Phenyl-1,3-diazinane-1,3-diyl)bis(methylene)]bis[N,N-bis(2-chloroethyl)-3-methylaniline]|4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline

CAS: 19320-22-0
Molecular Formula C34H44Cl4N4
Molecular Weight 648.232 g/mol
LogP 8.4
Topological Polar Surface Area 13.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 15
Exact Mass 648.232
Monoisotopic Mass 648.232
Heavy Atoms 42
Complexity 678.0

Chemical Identifiers

CAS Number 19320-22-0
SMILES CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
InChIKey YRPKNTQNYABTHO-UHFFFAOYSA-N

Product Overview

AC1L9D8Y (CAS 19320-22-0), with molecular formula C34H44Cl4N4 and molecular weight 648.232 g/mol. IUPAC: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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